N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide

C22H21F2N3O3 — CID 91320029

IUPACN-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1C=C(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)NO1
InChIInChI=1S/C22H21F2N3O3/c1-2-20(28)25-11-15-10-18(27-30-15)13-6-8-14(9-7-13)19-12-29-22(26-19)21-16(23)4-3-5-17(21)24/h3-10,15,19,27H,2,11-12H2,1H3,(H,25,28)
InChIKeyUXWNYIJFGUWJSI-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.25
Rot. Bonds6

About N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide

N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide (PubChem CID 91320029) has the molecular formula C22H21F2N3O3 and a molecular weight of 413.42 g/mol. Its IUPAC name is N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
PubChem CID91320029
Molecular FormulaC22H21F2N3O3
Molecular Weight413.42 g/mol
Exact Mass413.16
IUPAC NameN-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1C=C(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)NO1
InChIInChI=1S/C22H21F2N3O3/c1-2-20(28)25-11-15-10-18(27-30-15)13-6-8-14(9-7-13)19-12-29-22(26-19)21-16(23)4-3-5-17(21)24/h3-10,15,19,27H,2,11-12H2,1H3,(H,25,28)
InChIKeyUXWNYIJFGUWJSI-UHFFFAOYSA-N
XLogP3.25
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The IUPAC name of N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide (CID 91320029) is N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The canonical SMILES for N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide is CCC(=O)NCC1C=C(c2ccc(C3COC(c4c(F)cccc4F)=N3)cc2)NO1.
What is the InChIKey of N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
The InChIKey is UXWNYIJFGUWJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3/c1-2-20(28)25-11-15-10-18(27-30-15)13-6-8-14(9-7-13)19-12-29-22(26-19)21-16(23)4-3-5-17(21)24/h3-10,15,19,27H,2,11-12H2,1H3,(H,25,28).
What are the key properties of N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide?
N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide has a molecular weight of 413.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl]propanamide is sourced from PubChem (CID 91320029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).